Materials Data on Ba(ZnSb)2 by Materials Project

doi:10.17188/1190555

Title: Materials Data on Ba(ZnSb)2 by Materials Project

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Abstract

BaZn2Sb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Ba–Sb bond distances ranging from 3.53–3.78 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.71–2.80 Å. In the second Zn2+ site, Zn2+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.69–2.85 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 7-coordinate geometry to three equivalent Ba2+ and four Zn2+ atoms. In the second Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four Zn2+ atoms.

Publication Date:: 2020-07-20

Other Number(s):: mp-14207

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Ba(ZnSb)2; Ba-Sb-Zn; crystal structure

OSTI Identifier:: 1190555

DOI:: https://doi.org/10.17188/1190555

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                    Materials Data on Ba(ZnSb)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190555.

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                    Materials Data on Ba(ZnSb)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190555

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                    2020.  
"Materials Data on Ba(ZnSb)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190555.  https://www.osti.gov/servlets/purl/1190555. Pub date:Mon Jul 20 04:00:00 UTC 2020

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@article{osti_1190555,

  title        = {Materials Data on Ba(ZnSb)2 by Materials Project},

  
  abstractNote = {BaZn2Sb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Ba–Sb bond distances ranging from 3.53–3.78 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.71–2.80 Å. In the second Zn2+ site, Zn2+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.69–2.85 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 7-coordinate geometry to three equivalent Ba2+ and four Zn2+ atoms. In the second Sb3- site, Sb3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four Zn2+ atoms.},

  doi          = {10.17188/1190555},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1190555

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